N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine

C14H21F2N3 — CID 105150042

IUPACN-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-7-19-13(12-10-17-8-9-18-12)11-3-5-14(15,16)6-4-11/h8-11,13,19H,2-7H2,1H3
InChIKeyGRTRDWHXJCDCLQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.34
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 105150042) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID105150042
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-7-19-13(12-10-17-8-9-18-12)11-3-5-14(15,16)6-4-11/h8-11,13,19H,2-7H2,1H3
InChIKeyGRTRDWHXJCDCLQ-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 105150042) is N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is GRTRDWHXJCDCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-2-7-19-13(12-10-17-8-9-18-12)11-3-5-14(15,16)6-4-11/h8-11,13,19H,2-7H2,1H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 269.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 105150042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).